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CHEMDIV-ZINC05084884

 MMsINC code: MMs00988682
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1sc2cc(n(c2c1)CC(=O)Nc1ccc(cc1)CC)C(OC)=O
InChI:   InChI=1/C18H17ClN2O3S/c1-3-11-4-6-12(7-5-11)20-17(22)10-21-13-9-16(19)25-15(13)8-14(21)18(23)24-2/h4-9H,3,10H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=66.9993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -5.75711  SlogP: 4.61027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958875  Sterimol/B1: 3.32398  Sterimol/B2: 4.5248  Sterimol/B3: 5.61732
  Sterimol/B4: 7.59371  Sterimol/L: 16.5837 
 
 Surface and Volume Properties
  Accessible surface: 629.954  Positive charged surface: 343.118  Negative charged surface: 286.836  Volume: 337.375
  Hydrophobic surface: 535.918  Hydrophilic surface: 94.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.